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Dehydrobotrydienol

CAT: 0013-GTR19231628-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19231628-01Size:1 mg
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Description
Dehydrobotrydienol (CAS 258857-20-4) is a natural product used as a reference standard in research. It is primarily studied in phytopathology and mycology for its role as a fungal metabolite and its bioactivity in plant-fungus interactions, serving as a key compound for in vitro assays.
CAS Number
258857-20-4
Smiles
Cc1ccc2c (c1CO) [C@@] (C) (CO) CC2 (C) C
Molecular Formula
C15H22O2
Molecular Weight
234.339
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Dehydrobotrydienol

Dehydrobotrydienol is a member of indanes.

CAS Number258857-20-4
PubChem CID10728408
IUPAC Name[(3S)-3-(hydroxymethyl)-1,1,3,5-tetramethyl-2H-inden-4-yl]methanol
Molecular FormulaC15H22O2
Molecular Weight234.33
XLogP2.6
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count17
Formal Charge0
Complexity287
SMILES
CC1=C(C2=C(C=C1)C(C[C@]2(C)CO)(C)C)CO
InChI
InChI=1S/C15H22O2/c1-10-5-6-12-13(11(10)7-16)15(4,9-17)8-14(12,2)3/h5-6,16-17H,7-9H2,1-4H3/t15-/m1/s1
InChIKey
UQQKKLVKVVJDEX-OAHLLOKOSA-N
Chemical Structure
2D Structure
2D structure of Dehydrobotrydienol
CAS: 258857-20-4
CID: 10728408
Formula: C15H22O2
MW: 234.33
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight234.33
XLogP32.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass234.161979940
Monoisotopic Mass234.161979940
Topological Polar Surface Area40.5 Ų
Heavy Atom Count17
Formal Charge0
Complexity287
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5790670Dehydrobotrydienol

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